N-[bis(azanyl)methylidene]-5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxamide hydrate hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxamide hydrate hydrochloride Openeye Name: 5-cyclopropyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide hydrate hydrochloride CAS Name: 5-cyclopropyl-N-(diaminomethylidene)-1-(5-quinolinyl)-4-pyrazolecarboxamide hydrate hydrochloride IUPAC Name: 5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide hydrate hydrochloride Traditional Name: 5-cyclopropyl-N-(diaminomethylene)-1-(5-quinolyl)pyrazole-4-carboxamide hydrate hydrochloride Formula: C17H19ClN6O2 MolecularWeight: 374.82476

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl

Isomeric SMILES

C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.O.Cl

InChI

InChI=1S/C17H16N6O.ClH.H2O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);1H;1H2